Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.38 |
| ▸ | SRC | P12931 | 3/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL24331073 | 1.00 | HSP90AA1 (0.41) | HSP90AA1ADORA2ASRCADORA1ADORA2B | |
| SCHEMBL24330396 | 0.82 | HSP90AA1 (0.42) | HSP90AA1ADORA2ASRCADORA1ADORA2B | |
| SCHEMBL29515320 | 0.82 | HSP90AA1 (0.42) | HSP90AA1ADORA2ASRCADORA1ADORA2B | |
| SCHEMBL24331365 | 0.79 | HSP90AA1 (0.41) | HSP90AA1ADORA2ASRCADORA1ADORA2B | |
| SCHEMBL24331124 | 0.77 | HSP90AA1 (0.45) | HSP90AA1ADORA2AADORA1 | |
| SCHEMBL29515334 | 0.77 | HEXA (0.41) | HSP90AA1ADORA2AADORA1KMT2A | |
| SCHEMBL24331481 | 0.77 | HEXA (0.41) | HSP90AA1ADORA2AADORA1KMT2A | |
| SCHEMBL29515175 | 0.77 | HSP90AA1 (0.45) | HSP90AA1ADORA2AADORA1 | |
| SCHEMBL10567530 | 0.75 | ADORA2A (0.53) | HSP90AA1ADORA2AADORA1ADORA2BKMT2A | |
| SCHEMBL29541280 | 0.75 | ADORA2A (0.53) | HSP90AA1ADORA2AADORA1ADORA2BKMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4225761-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076620-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |